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Compound Detail

CHEMBL2313155

PYRAZOSULFURON ETHYL
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CCOC(=O)c1cnn(C)c1S(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1

Basic Information

ChEMBL ID CHEMBL2313155
Name PYRAZOSULFURON ETHYL
Phase Preclinical
Structure Type MOL
InChI Key BGNQYGRXEXDAIQ-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
15
Publications
0
Known Names

Molecular Properties

414.4
MW (Da)
-0.09
ALogP
11
HBA
2
HBD
163.6
PSA (Ų)
0.59
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H18N6O7S
MW 414.40
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -1.31

Activity Summary

Ki 2 meas. best 7.5

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Acetolactate synthase catalytic subunit, mitochondrial
CHEMBL1075095
Ki 7.5 7.5 32.0 1
Unchecked
CHEMBL612545
Ki 7.18 7.18 66.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.1584/jpestics.15.531 Oryza sativa 13
- 10.1584/jpestics.15.531 Pontederia vaginalis 9
- 10.1584/jpestics.15.531 Schoenoplectiella juncoides 9
- 10.1584/jpestics.15.531 Echinochloa crus-galli 9
- 10.1584/jpestics.15.531 Cyperus serotinus 8
- 10.1584/jpestics.15.531 Sagittaria pygmaea 8
- 10.1584/jpestics.15.531 unidentified 5
- 10.1584/jpestics.15.531 Eleocharis kuroguwai 2
- 10.1584/jpestics.15.531 Alisma canaliculatum 2
- 10.1584/jpestics.15.531 Unchecked 1
- 10.1584/jpestics.15.531 Rotala indica 1
23237384 10.1021/jm301501k Saccharomyces cerevisiae 1
23237384 10.1021/jm301501k Candida albicans 1
23237384 10.1021/jm301501k Acetolactate synthase catalytic subunit, mitochondrial 1
23237384 10.1021/jm301501k Unchecked 1

Data from ChEMBL 36 via Core Engine